methyl 2-[(3R)-3-methyl-4-(2-methylquinolin-1-ium-4-yl)-2-oxidanylidene-piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[(3R)-3-methyl-4-(2-methylquinolin-1-ium-4-yl)-2-oxidanylidene-piperazin-1-yl]ethanoate Openeye Name: methyl 2-[(3R)-3-methyl-4-(2-methylquinolin-1-ium-4-yl)-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[(3R)-3-methyl-4-(2-methyl-4-quinolin-1-iumyl)-2-oxo-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3R)-3-methyl-4-(2-methylquinolin-1-ium-4-yl)-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[(3R)-2-keto-3-methyl-4-(2-methylquinolin-1-ium-4-yl)piperazino]acetic acid methyl ester Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C)CC(=O)OC

Isomeric SMILES

C[C@@H]1C(=O)N(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C)CC(=O)OC

InChI

InChI=1S/C18H21N3O3/c1-12-10-16(14-6-4-5-7-15(14)19-12)21-9-8-20(11-17(22)24-3)18(23)13(21)2/h4-7,10,13H,8-9,11H2,1-3H3/p+1/t13-/m1/s1